Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 17:23:00 UTC
Update Date2025-03-25 01:49:43 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02532232
Frequency0.5
Structure
Chemical FormulaC8H14O2
Molecular Mass142.0994
SMILESCC1CC(O)C=CCCO1
InChI KeyNATSXEAVMQLEOY-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganooxygen compounds
Subclass alcohols and polyols
Direct Parent secondary alcohols
Geometric Descriptor aliphatic heteromonocyclic compounds
Alternative Parents
  • dialkyl ethers
  • hydrocarbon derivatives
  • oxacyclic compounds
  • Substituents
  • oxacycle
  • ether
  • aliphatic heteromonocyclic compound
  • secondary alcohol
  • hydrocarbon derivative
  • dialkyl ether
  • organoheterocyclic compound